2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide

C17H15ClN4O4 — CID 59018346

IUPAC2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCCc1nc2c([N+](=O)[O-])cccc2[nH]1
InChIInChI=1S/C17H15ClN4O4/c18-11-4-1-2-7-14(11)26-10-16(23)19-9-8-15-20-12-5-3-6-13(22(24)25)17(12)21-15/h1-7H,8-10H2,(H,19,23)(H,20,21)
InChIKeyRCNPZXSOEURKCZ-UHFFFAOYSA-N
MW374.78 g/mol
LogP2.86
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide

2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide (PubChem CID 59018346) has the molecular formula C17H15ClN4O4 and a molecular weight of 374.78 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide
PubChem CID59018346
Molecular FormulaC17H15ClN4O4
Molecular Weight374.78 g/mol
Exact Mass374.08
IUPAC Name2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCCc1nc2c([N+](=O)[O-])cccc2[nH]1
InChIInChI=1S/C17H15ClN4O4/c18-11-4-1-2-7-14(11)26-10-16(23)19-9-8-15-20-12-5-3-6-13(22(24)25)17(12)21-15/h1-7H,8-10H2,(H,19,23)(H,20,21)
InChIKeyRCNPZXSOEURKCZ-UHFFFAOYSA-N
XLogP2.86
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2903228
2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide
CID 166178541
N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500531
2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 958366
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-ethylphenoxy)acetamide
CID 19175653
(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide
CID 9470311
N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide
CID 59018424
methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate
CID 21008986
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 707834
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
2-(2-nitrophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 7916925

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide (CID 59018346) is 2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide is O=C(COc1ccccc1Cl)NCCc1nc2c([N+](=O)[O-])cccc2[nH]1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide?
The InChIKey is RCNPZXSOEURKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4/c18-11-4-1-2-7-14(11)26-10-16(23)19-9-8-15-20-12-5-3-6-13(22(24)25)17(12)21-15/h1-7H,8-10H2,(H,19,23)(H,20,21).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide?
2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide has a molecular weight of 374.78 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 59018346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).